N-(4-acetamidophenyl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide

C20H18FN5O3 — CID 90489262

IUPACN-(4-acetamidophenyl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)cc1
InChIInChI=1S/C20H18FN5O3/c1-11(27)22-13-5-7-14(8-6-13)23-20(29)12-9-17(28)26(10-12)19-18-15(21)3-2-4-16(18)24-25-19/h2-8,12H,9-10H2,1H3,(H,22,27)(H,23,29)(H,24,25)
InChIKeyHDCDSWSFIPGPNS-UHFFFAOYSA-N
MW395.39 g/mol
LogP2.65
Rot. Bonds4

About N-(4-acetamidophenyl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide

N-(4-acetamidophenyl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 90489262) has the molecular formula C20H18FN5O3 and a molecular weight of 395.39 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID90489262
Molecular FormulaC20H18FN5O3
Molecular Weight395.39 g/mol
Exact Mass395.14
IUPAC NameN-(4-acetamidophenyl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)cc1
InChIInChI=1S/C20H18FN5O3/c1-11(27)22-13-5-7-14(8-6-13)23-20(29)12-9-17(28)26(10-12)19-18-15(21)3-2-4-16(18)24-25-19/h2-8,12H,9-10H2,1H3,(H,22,27)(H,23,29)(H,24,25)
InChIKeyHDCDSWSFIPGPNS-UHFFFAOYSA-N
XLogP2.65
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide (CID 90489262) is N-(4-acetamidophenyl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide is CC(=O)Nc1ccc(NC(=O)C2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HDCDSWSFIPGPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O3/c1-11(27)22-13-5-7-14(8-6-13)23-20(29)12-9-17(28)26(10-12)19-18-15(21)3-2-4-16(18)24-25-19/h2-8,12H,9-10H2,1H3,(H,22,27)(H,23,29)(H,24,25).
What are the key properties of N-(4-acetamidophenyl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
N-(4-acetamidophenyl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 395.39 g/mol, XLogP of 2.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 90489262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).